6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one

C5H6FN3O — CID 22172510

IUPAC6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1CF
InChIInChI=1S/C5H6FN3O/c6-1-3-2-8-5(10)9-4(3)7/h2H,1H2,(H3,7,8,9,10)
InChIKeyWIWMQLDGVHINCN-UHFFFAOYSA-N
MW143.12 g/mol
LogP-0.18
Rot. Bonds1

About 6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one

6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one (PubChem CID 22172510) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one
PubChem CID22172510
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1CF
InChIInChI=1S/C5H6FN3O/c6-1-3-2-8-5(10)9-4(3)7/h2H,1H2,(H3,7,8,9,10)
InChIKeyWIWMQLDGVHINCN-UHFFFAOYSA-N
XLogP-0.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one (CID 22172510) is 6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1CF.
What is the InChIKey of 6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is WIWMQLDGVHINCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c6-1-3-2-8-5(10)9-4(3)7/h2H,1H2,(H3,7,8,9,10).
What are the key properties of 6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one?
6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 143.12 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(fluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 22172510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).